benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate

C15H22N2O3 — CID 154726666

IUPACbenzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
SMILESCC1(C)CNC[C@@H](CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-16-8-13(20-15)9-17-14(18)19-10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyFCXDIFCLLWXXCC-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds4

About benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate

benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate (PubChem CID 154726666) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
PubChem CID154726666
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
SMILESCC1(C)CNC[C@@H](CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-16-8-13(20-15)9-17-14(18)19-10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyFCXDIFCLLWXXCC-ZDUSSCGKSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
benzyl N-[[2,2-dimethyl-5-(phenylmethoxycarbonylaminomethyl)-1,3-dioxolan-4-yl]methyl]carbamate
CID 563810
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[[(2R,5S)-5-methylpiperidin-2-yl]methyl]carbamate
CID 125117304
benzyl N-[[5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]carbamate
CID 14526378
benzyl N-[(2,2,3-trimethylcyclopropyl)methyl]carbamate
CID 71102274
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
2-[2-[(6,6-dimethylmorpholin-2-yl)methoxymethyl]phenyl]acetic acid
CID 106940905
trans-(1R,3S)-2,2-dimethyl-3-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylic acid
CID 167717134

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate (CID 154726666) is benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate is CC1(C)CNC[C@@H](CNC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate?
The InChIKey is FCXDIFCLLWXXCC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)11-16-8-13(20-15)9-17-14(18)19-10-12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate?
benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate is sourced from PubChem (CID 154726666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).